10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine

C38H25N3O — CID 118316024

IUPAC10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-2-10-28(11-3-1)41-32-13-5-4-12-30(32)31-23-18-26-24-25-39(37(26)38(31)41)27-19-21-29(22-20-27)40-33-14-6-8-16-35(33)42-36-17-9-7-15-34(36)40/h1-25H
InChIKeyCZKMGLSRRDGACW-UHFFFAOYSA-N
MW539.64 g/mol
LogP10.30
Rot. Bonds3

About 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine

10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine (PubChem CID 118316024) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
PubChem CID118316024
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4c32)cc1
InChIInChI=1S/C38H25N3O/c1-2-10-28(11-3-1)41-32-13-5-4-12-30(32)31-23-18-26-24-25-39(37(26)38(31)41)27-19-21-29(22-20-27)40-33-14-6-8-16-35(33)42-36-17-9-7-15-34(36)40/h1-25H
InChIKeyCZKMGLSRRDGACW-UHFFFAOYSA-N
XLogP10.30
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

YoYo-1
CID 6438136
2-benzyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium bromide
CID 25154820
1-(2,3-Dimethylphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]indole
CID 76318011
3-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1-naphthalen-1-ylindole
CID 76321735
9-(2-Phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
CID 141472183
3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
CID 59853378
3-(1-Hexylindol-3-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137659941
Oxazole yellow, >=98% (HPLC)
CID 132939
YoYo-3
CID 6444584
Trimethyl-[3-[4-[3-(3-methyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium
CID 57140428
1,10-Phenanthroline, 4,7-diphenoxy-
CID 23423818
1-Ethyl-4-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]quinolinium iodide
CID 16205063

Frequently Asked Questions

What is the IUPAC name of 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine (CID 118316024) is 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine is c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4c32)cc1.
What is the InChIKey of 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
The InChIKey is CZKMGLSRRDGACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-2-10-28(11-3-1)41-32-13-5-4-12-30(32)31-23-18-26-24-25-39(37(26)38(31)41)27-19-21-29(22-20-27)40-33-14-6-8-16-35(33)42-36-17-9-7-15-34(36)40/h1-25H.
What are the key properties of 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine?
10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine has a molecular weight of 539.64 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]phenoxazine is sourced from PubChem (CID 118316024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).